相关论文: Surface Binding Energies for Amorphous Plagioclase…
Measurements of the elastic scattering cross section of 3He and 4He are important in order to improve constraints on theoretical models of 4He(3He,g)7Be, a key reaction in Big Bang nucleosynthesis and solar neutrino production. The…
This work quantifies the effect of misfit and threading dislocations on the surface energies of PbTe-PbSe interfaces, with the defect structures of the interfaces being obtained from atomistic and multiscale simulations of their…
Sixty years ago the first observation was published showing solar energetic particles (SEPs) with a sampling of chemical elements. Thus began study of the direct products of dynamic physics in the solar corona. As we have progressed from…
Plenty of saddles on a multidimensional potential energy surface(PES) of two-dimensional microclusters, where atoms are interacting via Morse potential, are numerically located. The reaction paths emanating from the two types of the local…
The kinetics of intrinsic and dopant-enhanced solid phase epitaxy (SPE) is stud- ied in amorphous germanium (a-Ge) layers formed by ion implantation on <100> Ge substrates. The SPE rates were measured with a time-resolved reflectivity (TRR)…
We investigate connections between the continuum and atomistic descriptions of deformable crystals, using certain interesting results from number theory. The energy of a deformed crystal is calculated in the context of a lattice model with…
The mass-dependent symmetry energy coefficients $a_{sym}(A)$ has been extracted by analysing the heavy nuclear mass differences reducing the uncertainties as far as possible in our previous work. Taking advantage of the obtained symmetry…
We extract the mass-dependent symmetry energy coefficients $a_{\text{sym}}({A})$ with the nuclear mass differences reducing the uncertainties as far as possible. The estimated $a_{\text{sym}}({A})$ of $^{208}\text{Pb}$ is $22.4\pm 0.3 $…
Accurate intermolecular potential-energy surfaces (IPESs) for the ground and first excited states of the Sr-H$_2$ and Yb-H$_2$ complexes were calculated. After an extensive methodological study, the CCSD(T) method with the…
The macroscopic mechanical properties of colloidal particle gels strongly depend on the local arrangement of the powder particles. Experiments have shown that more heterogeneous microstructures exhibit up to one order of magnitude higher…
We report on self-assembly, clustering, and conformational phases of peptides on inorganic semiconductor surfaces. The peptide-covered surface fraction can differ by a factor of 25, depending mainly on surface and peptide polarity. Low…
The large variety of complex electronic structure materials and their alloys, offer highly promising directions for improvements in thermoelectric (TE) power factors (PF). Their electronic structure contains rich features, referred to as…
Direct-imaging spectra hold rich information about a planet's atmosphere and surface, and several space-based missions aiming at such observations will become a reality in the near future. Previous spectral retrieval works have resulted in…
The variation of energies associated with soft matter interfaces where surface inhomogeneities are present. These energies include the total bending and splay energy, the variable surface tension energy, a coupling energy between the total…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 compounds. The calculations have been carried out within the local density approximation using norm…
A binary mixture of particles interacting with spherically-symmetric potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume…
We identify a previously overlooked invariant governing planetary surface temperatures, expressed in terms of only two observables: solar irradiance and Bond albedo. The relation has universal applicability and accurately reproduces the…
The chemical equilibrium distribution of 69 elements between gas and melt is modeled for bulk silicate Earth (BSE) material from 1000 - 4500 K and 1e-6 to 100 bar. The BSE melt is modeled as a non-ideal solution and the effects of different…
The crystal structure of boron is unique among chemical elements, highly complex, and imperfectly known. Experimentalists report the beta-rhombohedral (black) form is stable over all temperatures from absolute zero to melting. However,…